Depth profile of the lattice constant of the Cu-poor surface layer in (Cu 2Se) 1− x(In 2Se 3) x evidenced by grazing incidence X-ray diffraction

The surface of CuInSe 2 or related compounds is an essential part of heterojunctions for photovoltaic applications. It is generally accepted that the reconstruction of the surface of slightly Cu-deficient film results in a Cu-depleted defect layer. Since this surface layer generally exhibits a CuIn 3Se 5 stoichiometry the existence of a defect chalcopyrite phase CuIn 3Se 5 has also been proposed. Although efforts have been made to identify this phase structurally by means of grazing incidence X-ray-diffraction (GIXRD), it has not been detected so far. However, the existence of a Cu-depleted surface layer fits well in the existing theory, which models the functioning of photovoltaic devices. In this contribution we present for the first time evidence for a Cu-depleted surface layer measured by X-ray diffraction. A careful analysis of GIXRD-data at incident angles from 0.3 to 10° by comparing the measured shape and width with simulated spectra confirms structural changes in the surface layer. The thickness of this layer varies from 5 to 60 nm with the integral Cu-content of the film. Hence GIXRD provides a unique means for non-destructive depth profiling.